CID 138158

Ketone, 5-indanyl methyl

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CC(=O)C1CCC2=CC=CC=C12

InChI

InChI=1S/C11H12O/c1-8(12)10-7-6-9-4-2-3-5-11(9)10/h2-5,10H,6-7H2,1H3

InChIKey

ZDDDIYOBAOJYAZ-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-inden-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 160.08882 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.096096	133.5
[M+Na]+	183.078038	141.4
[M-H]-	159.081544	138.1
[M+NH4]+	178.122643	157.3
[M+K]+	199.051978	138.9
[M+H-H2O]+	143.086080	128.5
[M+HCOO]-	205.087021	156.1
[M+CH3COO]-	219.102671	178.2
[M+Na-2H]-	181.063486	138.5
[M]+	160.08827142	132.7
[M]-	160.08936858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe